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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3,5-dichloro-N-cyclohexyl-N-cyclopropyl-benzamide 4-amino-3,5-dichloro-N-cyclohexy…

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    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 14 0.52 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.87 7.54 -6.24 2 3 0 46 327.255 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3,5-dichloro-N-cyclopentyl-N-cyclopropyl-benzamide 4-amino-3,5-dichloro-N-cyclopent…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.57 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.37 7.24 -5.05 2 3 0 46 313.228 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: AMG-221 AMG-221

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 13 0.61 Binding ≤ 10μM
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 17 0.60 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.81 5.92 -9.99 1 3 0 41 266.41 3 ↓
    Mid Mid (pH 6-8) 2.81 6.89 -27.41 2 3 1 43 267.418 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(5S,7R)-3-phenyl-1-adamantyl]-(1-piperidyl)methanone [(5S,7R)-3-phenyl-1-adamantyl]-(…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 175 0.39 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.62 11.25 -7.78 0 2 0 20 323.48 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-chlorophenyl)-[4-(4-fluorobenzoyl)-1-piperidyl]methanone (3-chlorophenyl)-[4-(4-fluoroben…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.64 10.36 -17.78 0 3 0 37 345.801 3 ↓

    Analogs

    1336605
    1336605
    1336794
    1336794

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)piperidino]-(3-methoxyphenyl)methanone [4-(4-fluorobenzoyl)piperidino]-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.02 1.83 -17.99 0 4 0 46 341.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-chlorophenyl)-[4-(4-fluorobenzoyl)-1-piperidyl]methanone (2-chlorophenyl)-[4-(4-fluoroben…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4060 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.62 10.39 -18.03 0 3 0 37 345.801 3 ↓

    Analogs

    1336320
    1336320

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)piperidino]-phenyl-methanone [4-(4-fluorobenzoyl)piperidino]-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3610 0.33 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.99 9.85 -16.4 0 3 0 37 311.356 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)piperidino]-(2-fluorophenyl)methanone [4-(4-fluorobenzoyl)piperidino]-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 7440 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.10 9.98 -20.48 0 3 0 37 329.346 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)-1-piperidyl]-(m-tolyl)methanone [4-(4-fluorobenzoyl)-1-piperidyl…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5930 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.41 10.52 -16.52 0 3 0 37 325.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)piperidino]-(p-tolyl)methanone [4-(4-fluorobenzoyl)piperidino]-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3410 0.32 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.44 2.1 -14.12 0 3 0 37 325.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-fluorobenzoyl)piperidino]-(o-tolyl)methanone [4-(4-fluorobenzoyl)piperidino]-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 6890 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.39 2 -14.32 0 3 0 37 325.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(4-chlorobenzoyl)-4-piperidyl]-(4-fluorophenyl)methanone [1-(4-chlorobenzoyl)-4-piperidyl…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 6020 0.30 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.67 1.66 -14.12 0 3 0 37 345.801 3 ↓

    Analogs

    9988122
    9988122
    1336789
    1336789

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(3,4-difluorobenzoyl)-4-piperidyl]-(4-fluorophenyl)methanone [1-(3,4-difluorobenzoyl)-4-piper…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 7500 0.29 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.24 3.25 -16.26 0 3 0 37 347.336 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-{3-[2-(2-pyridyl)ethyl]phenyl}-2,5-dichlorobenzene-1-sulfonamide N1-{3-[2-(2-pyridyl)ethyl]phenyl…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 102 0.38 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.78 9 -46.26 0 4 -1 61 406.314 6 ↓
    Mid Mid (pH 6-8) 4.78 8.54 -10.6 1 4 0 59 407.322 6 ↓
    Lo Low (pH 4.5-6) 4.78 8.89 -39.11 2 4 1 60 408.33 6 ↓

    Analogs

    6314047
    6314047

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-naphthylsulfonyl)-4-phenyl-1,2,3,6-tetrahydropyridine 1-(2-naphthylsulfonyl)-4-phenyl-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 29 0.42 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.42 10.3 -9.66 0 3 0 37 349.455 3 ↓

    Analogs

    4481817
    4481817

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-naphthylsulfonyl)piperazine 1-[3-chloro-5-(trifluoromethyl)p…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 33 0.35 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.63 9.76 -10.18 0 5 0 54 455.889 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2,4-dichlorophenyl)sulfonyl]-3-(2,3-dihydrobenzo[b]furan-5-yl)acrylonitrile 2-[(2,4-dichlorophenyl)sulfonyl]…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 67 0.42 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.42 -1.7 -11.62 0 4 0 67 380.252 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-6-fluorobenzyl)-4-(2-naphthylsulfonyl)-1,4-diazepane 1-(2-chloro-6-fluorobenzyl)-4-(2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.41 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.74 9.72 -10.04 0 4 0 41 432.948 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-benzyl-N1-methyl-4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonamide N1-benzyl-N1-methyl-4-(3-chloro-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 41 0.37 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.74 10.12 -16.72 0 5 0 70 412.898 6 ↓

    Analogs

    2172613
    2172613
    39854220
    39854220
    39854221
    39854221

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5210 0.27 Binding ≤ 10μM
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4170 0.28 Functional ≤ 10μM
    Z100494-1-O C2C12 (Myoblast Cells) (cluster #1 Of 1), Other Other 4170 0.28 Functional ≤ 10μM
    Z80006-1-O 3T3-L1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 3900 0.28 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.65 6.47 -16.03 1 6 0 82 373.449 6 ↓

    Analogs

    39854220
    39854220
    39854221
    39854221
    2096472
    2096472

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5210 0.27 Binding ≤ 10μM
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4170 0.28 Functional ≤ 10μM
    Z100494-1-O C2C12 (Myoblast Cells) (cluster #1 Of 1), Other Other 4170 0.28 Functional ≤ 10μM
    Z80006-1-O 3T3-L1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 3900 0.28 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.65 6.47 -15.7 1 6 0 82 373.449 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-amino-3,5-dichloro-phenyl)-[(2S,6R)-2,6-dimethyl-1-piperidyl]methanone (4-amino-3,5-dichloro-phenyl)-[(…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 36 0.55 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.17 6.25 -4.98 2 3 0 46 301.217 1 ↓

    Analogs

    38213403
    38213403
    38213404
    38213404

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007979 DNC007979

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.50 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.01 -2.15 -18.82 0 4 0 60 290.34 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007978 DNC007978

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 90 0.52 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.12 -1.45 -17.42 0 3 0 51 278.304 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)-2-(phenylsulfonyl)ethanone 1-(4-chlorophenyl)-2-(phenylsulf…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 200 0.49 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.63 6.32 -17.96 0 3 0 51 294.759 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007975 DNC007975

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 101 0.49 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.24 -2.47 -15.37 0 3 0 51 329.204 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007973 DNC007973

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1200 0.41 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.78 7.17 -17.72 0 3 0 51 288.368 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantyl-[4-(4-pyridylmethyl)piperazin-1-yl]methanone 1-adamantyl-[4-(4-pyridylmethyl)…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 7200 0.29 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.60 7.55 -9.41 0 4 0 36 339.483 3 ↓
    Mid Mid (pH 6-8) 2.60 9.82 -54.44 1 4 1 38 340.491 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-benzylpiperazin-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone (4-benzylpiperazin-1-yl)-[(5S,7R…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1500 0.25 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.45 13.19 -9.36 0 3 0 24 428.62 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007941 DNC007941

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 200 0.52 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.73 -0.26 -6.54 0 2 0 20 247.382 1 ↓

    Analogs

    31946031
    31946031

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantyl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone 1-adamantyl-[4-(2-hydroxyethyl)p…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 494 0.42 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.86 3.2 -9.78 1 4 0 44 292.423 3 ↓
    Lo Low (pH 4.5-6) 1.86 5.53 -44.53 2 4 1 45 293.431 3 ↓

    Analogs

    12414273
    12414273

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-adamantyl(piperidino)methanone 1-adamantyl(piperidino)methanone

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 13 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 134 0.53 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.51 8.1 -7.5 0 2 0 20 247.382 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(5S,7R)-3-benzyl-1-adamantyl]-(4-ethylpiperazin-1-yl)methanone [(5S,7R)-3-benzyl-1-adamantyl]-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1000 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.19 10.12 -7.35 0 3 0 24 366.549 4 ↓
    Mid Mid (pH 6-8) 4.19 12.42 -47.37 1 3 1 25 367.557 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-phenylpiperazin-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone (4-phenylpiperazin-1-yl)-[(5S,7R…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 7300 0.23 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.75 12.92 -8.64 0 3 0 24 414.593 3 ↓

    Analogs

    5073683
    5073683
    13075161
    13075161

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-methylpiperazin-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone (4-methylpiperazin-1-yl)-[(5S,7R…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 81 0.38 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.05 9.4 -9.39 0 3 0 24 352.522 2 ↓
    Mid Mid (pH 6-8) 4.05 11.76 -48.71 1 3 1 25 353.53 2 ↓

    Analogs

    6341643
    6341643
    6341658
    6341658
    6341665
    6341665
    6634260
    6634260
    6634308
    6634308

    Draw Identity 99% 90% 80% 70%

    Popular Name: quinoline, 1,2,3,4-tetrahydro-1-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)- quinoline, 1,2,3,4-tetrahydro-1-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 481 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.81 0.52 -9.45 0 2 0 20 295.426 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-[4-(trifluoromethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one 3-[1-[4-(trifluoromethyl)benzoyl…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 2600 0.28 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.02 9.21 -16.81 1 5 0 58 389.377 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-[2-(trifluoromethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one 3-[1-[2-(trifluoromethyl)benzoyl…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1300 0.29 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.97 9.11 -23.45 1 5 0 58 389.377 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(3-methoxybenzoyl)-4-piperidyl]-1H-benzimidazol-2-one 3-[1-(3-methoxybenzoyl)-4-piperi…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 300 0.35 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.15 7.51 -16.93 1 6 0 67 351.406 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(1,3-benzodioxole-5-carbonyl)-4-piperidyl]-1H-benzimidazol-2-one 3-[1-(1,3-benzodioxole-5-carbony…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1100 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.01 6.85 -22.12 1 7 0 77 365.389 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(4-tert-butylbenzoyl)-4-piperidyl]-1H-benzimidazol-2-one 3-[1-(4-tert-butylbenzoyl)-4-pip…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.29 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.83 10.52 -17.92 1 5 0 58 377.488 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(2-fluorobenzoyl)-4-piperidyl]-1H-benzimidazol-2-one 3-[1-(2-fluorobenzoyl)-4-piperid…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 2 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3500 0.31 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.24 8.25 -23.23 1 5 0 58 339.37 2 ↓

    Analogs

    8663449
    8663449

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 234 0.34 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.60 8.15 -10.55 0 5 0 50 388.533 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-benzyl-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine 1-benzyl-4-(3-(trifluoromethyl)p…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 550 0.38 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.28 10.06 -37.38 1 3 1 21 322.354 4 ↓
    Mid Mid (pH 6-8) 3.28 7.74 -6.07 0 3 0 19 321.346 4 ↓

    Analogs

    2390662
    2390662
    2391496
    2391496
    2584700
    2584700
    2584811
    2584811
    2584822
    2584822

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-4-[2-(2-methoxy-4-methylbenzoyl)carbohydrazonoyl]phenyl 4-chlorobenzoate 2-ethoxy-4-[2-(2-methoxy-4-methy…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1850 0.24 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.59 3.02 -21.06 1 7 0 86 466.921 9 ↓

    Analogs

    13947138
    13947138

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine 1-(4-chlorophenyl)-4-(4-tert-but…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 87 0.38 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.22 9.38 -9.37 0 4 0 41 392.952 4 ↓

    Analogs

    5944998
    5944998

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-nitrophenyl)-4-(4-tert-butylphenyl)sulfonyl-piperazine 1-(4-nitrophenyl)-4-(4-tert-buty…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 161 0.34 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.50 9.58 -15.1 0 7 0 86 403.504 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(5H-chromeno[4,3-b]pyridin-3-yl)-5-methyl-1-benzofuran-2-yl](phenyl)methanone [3-(5H-chromeno[4,3-b]pyridin-3-…

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    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 770 0.27 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.69 1.82 -11.91 0 4 0 52 417.464 3 ↓

    Analogs

    5739164
    5739164

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(4-methylphenyl)sulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine 1-[(4-methylphenyl)sulfonyl]-4-[…

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    Vendors

    And 2 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 32 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.24 7.55 -11 0 5 0 54 385.411 4 ↓

    Parameters Provided:

    target.name = DHI1-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'DHI1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=DHI1-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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